Quantization improvements #295 and #302, GGML part only

Co-Authored-By: Kawrakow <iwankawrakow@gmail.com>

Author: Nexesenex

ggml/src/ggml-quants.c

@@ -564,10 +564,8 @@ static float make_qx_quants(int n, int nmax, const float * GGML_RESTRICT x, int8
     float scale = suml2 ? sumlx/suml2 : 0.0f;
     if (return_early) return suml2 > 0 ? 0.5f*(scale + 1/iscale) : 1/iscale;
     float best = scale * sumlx;
+    float best_sumlx = sumlx, best_suml2 = suml2;
     for (int is = -9; is <= 9; ++is) {
-        if (is == 0) {
-            continue;
-        }
         iscale = -(nmax + 0.1f*is) / max;
         sumlx = suml2 = 0;
         for (int i = 0; i < n; ++i) {
@@ -583,7 +581,66 @@ static float make_qx_quants(int n, int nmax, const float * GGML_RESTRICT x, int8
                 L[i] = nmax + MAX(-nmax, MIN(nmax-1, l));
             }
             scale = sumlx/suml2; best = scale*sumlx;
+            best_sumlx = sumlx; best_suml2 = suml2;
+        }
+        iscale = (nmax-1 + 0.1f*is) / max;
+        sumlx = suml2 = 0;
+        for (int i = 0; i < n; ++i) {
+            int l = nearest_int(iscale * x[i]);
+            l = MAX(-nmax, MIN(nmax-1, l));
+            float w = qw ? qw[i] : rmse_type == 1 ? x[i] * x[i] : rmse_type == 2 ? 1 : rmse_type == 3 ? fabsf(x[i]) : sqrtf(fabsf(x[i]));
+            sumlx += w*x[i]*l;
+            suml2 += w*l*l;
         }
+        if (suml2 > 0 && sumlx*sumlx > best*suml2) {
+            for (int i = 0; i < n; ++i) {
+                int l = nearest_int(iscale * x[i]);
+                L[i] = nmax + MAX(-nmax, MIN(nmax-1, l));
+            }
+            scale = sumlx/suml2; best = scale*sumlx;
+            best_sumlx = sumlx; best_suml2 = suml2;
+        }
+    }
+
+    sumlx = best_sumlx; suml2 = best_suml2;
+    for (int iter = 0; iter < n*(2*nmax-1); ++iter) {
+        float abs_gmax = 0, gmax = 0;
+        int best_j = -1;
+        for (int j = 0; j < n; ++j) {
+            float w = qw ? qw[j] : rmse_type == 1 ? x[j] * x[j] : rmse_type == 2 ? 1 : rmse_type == 3 ? fabsf(x[j]) : sqrtf(fabsf(x[j]));
+            int l = L[j] - nmax;
+            float g = scale * w * (x[j] - scale*l);
+            if ((g > 0 && l < nmax-1) || (g < 0 && l > -nmax)) {
+                float ag = fabsf(g);
+                if (ag > abs_gmax) {
+                    abs_gmax = ag; gmax = g; best_j = j;
+                }
+            }
+        }
+        if (best_j < 0) break;
+
+        float new_sumlx = sumlx, new_suml2 = suml2;
+        float w = qw ? qw[best_j] : rmse_type == 1 ? x[best_j] * x[best_j] : rmse_type == 2 ? 1 : rmse_type == 3 ? fabsf(x[best_j]) : sqrtf(fabsf(x[best_j]));
+        int l = L[best_j] - nmax;
+        if (gmax > 0) {
+            new_sumlx += w*x[best_j];
+            new_suml2 += w*(2*l + 1);
+            l += 1;
+        } else {
+            new_sumlx -= w*x[best_j];
+            new_suml2 -= w*(2*l - 1);
+            l -= 1;
+        }
+        if (new_suml2 > 0 && new_sumlx*new_sumlx > best*new_suml2) {
+            sumlx = new_sumlx; suml2 = new_suml2;
+            scale = sumlx/suml2; best = scale*sumlx;
+            L[best_j] = l + nmax;
+            GGML_ASSERT(L[best_j] >= 0 && L[best_j] <= 2*nmax-1);
+        }
+        else {
+            break;
+        }
+
     }
     return scale;
 }
@@ -889,8 +946,9 @@ static float make_qkx3_quants(int n, int nmax, const float * GGML_RESTRICT x, co
         float rmin, float rdelta, int nstep, bool use_mad) {
     float min = x[0];
     float max = x[0];
-    float sum_w = weights ? weights[0] : x[0]*x[0];
-    float sum_x = sum_w * x[0];
+    double sum_w = weights ? (double)weights[0] : (double)(x[0]*x[0]);
+    double sum_x = sum_w * (double)x[0];
+    double sum_x2 = sum_w * (double)x[0] * (double)x[0];
 #ifdef HAVE_BUGGY_APPLE_LINKER
     // use 'volatile' to prevent unroll and work around a bug in Apple ld64 1015.7
     for (volatile int i = 1; i < n; ++i) {
@@ -900,8 +958,9 @@ static float make_qkx3_quants(int n, int nmax, const float * GGML_RESTRICT x, co
         if (x[i] < min) min = x[i];
         if (x[i] > max) max = x[i];
         float w = weights ? weights[i] : x[i]*x[i];
-        sum_w += w;
-        sum_x += w * x[i];
+        sum_w += (double)w;
+        sum_x += (double)w * (double)x[i];
+        sum_x2 += (double)w * (double)x[i] * (double)x[i];
     }
     if (min > 0) {
         min = 0;
@@ -913,13 +972,13 @@ static float make_qkx3_quants(int n, int nmax, const float * GGML_RESTRICT x, co
     }
     float iscale = nmax/(max - min);
     float scale = 1/iscale;
-    float best_mad = 0;
+    double best_mad = 0;
     for (int i = 0; i < n; ++i) {
         int l = nearest_int(iscale*(x[i] - min));
         L[i] = MAX(0, MIN(nmax, l));
-        float diff = scale * L[i] + min - x[i];
-        diff = use_mad ? fabsf(diff) : diff*diff;
-        float w = weights ? weights[i] : x[i]*x[i];
+        double diff = (double)scale * L[i] + (double)min - (double)x[i];
+        diff = use_mad ? fabs(diff) : diff*diff;
+        double w = weights ? (double)weights[i] : (double)(x[i]*x[i]);
         best_mad += w * diff;
     }
     if (nstep < 1) {
@@ -928,30 +987,35 @@ static float make_qkx3_quants(int n, int nmax, const float * GGML_RESTRICT x, co
     }
     for (int is = 0; is <= nstep; ++is) {
         iscale = (rmin + rdelta*is + nmax)/(max - min);
-        float sum_l = 0, sum_l2 = 0, sum_xl = 0;
+        double sum_l = 0, sum_l2 = 0, sum_xl = 0;
         for (int i = 0; i < n; ++i) {
             int l = nearest_int(iscale*(x[i] - min));
             l = MAX(0, MIN(nmax, l));
             Laux[i] = l;
             float w = weights ? weights[i] : x[i]*x[i];
-            sum_l  += w*l;
-            sum_l2 += w*l*l;
-            sum_xl += w*l*x[i];
+            sum_l  += (double)w*l;
+            sum_l2 += (double)w*l*l;
+            sum_xl += (double)w*l*(double)x[i];
         }
-        float D = sum_w * sum_l2 - sum_l * sum_l;
+        double D = sum_w * sum_l2 - sum_l * sum_l;
         if (D > 0) {
-            float this_scale = (sum_w * sum_xl - sum_x * sum_l)/D;
-            float this_min   = (sum_l2 * sum_x - sum_l * sum_xl)/D;
+            double this_scale = (sum_w * sum_xl - sum_x * sum_l)/D;
+            double this_min   = (sum_l2 * sum_x - sum_l * sum_xl)/D;
             if (this_min > 0) {
                 this_min = 0;
                 this_scale = sum_xl / sum_l2;
             }
-            float mad = 0;
-            for (int i = 0; i < n; ++i) {
-                float diff = this_scale * Laux[i] + this_min - x[i];
-                diff = use_mad ? fabsf(diff) : diff*diff;
-                float w = weights ? weights[i] : x[i]*x[i];
-                mad += w * diff;
+            double mad = 0;
+            if (use_mad) {
+                for (int i = 0; i < n; ++i) {
+                    double diff = (double)this_scale * Laux[i] + (double)this_min - (double)x[i];
+                    diff = fabs(diff);
+                    double w = weights ? (double)weights[i] : (double)(x[i]*x[i]);
+                    mad += w * diff;
+                }
+            } else {
+                mad = sum_x2 - 2*this_scale*sum_xl - 2*this_min*sum_x + 2*this_scale*this_min*sum_l
+                    + this_scale*this_scale*sum_l2 + this_min*this_min*sum_w;
             }
             if (mad < best_mad) {
                 for (int i = 0; i < n; ++i) {
@@ -963,6 +1027,57 @@ static float make_qkx3_quants(int n, int nmax, const float * GGML_RESTRICT x, co
             }
         }
     }
+    if (use_mad) {
+        *the_min = -min;
+        return scale;
+    }
+
+    double sum_l = 0, sum_l2 = 0, sum_xl = 0;
+    for (int i = 0; i < n; ++i) {
+        int l = L[i];
+        double w = weights ? (double)weights[i] : (double)(x[i]*x[i]);
+        sum_l  += w*l;
+        sum_l2 += w*l*l;
+        sum_xl += w*l*(double)x[i];
+    }
+    double best = 2*(double)scale*sum_xl + 2*(double)min*sum_x - 2*(double)scale*(double)min*sum_l
+                - (double)scale*(double)scale*sum_l2 - (double)min*(double)min*sum_w;
+    int last_j = -1, last_dir = 0;
+    for (int itry = 0; itry < nmax*n; ++itry) {
+        float gmax = 0;
+        int best_j = -1, dir = 0;
+        for (int j = 0; j < n; ++j) {
+            float g = x[j] - scale*L[j] - min;
+            if (g > 0 && L[j] < nmax && g > gmax) {
+                gmax = g; best_j = j; dir = 1;
+            }
+            else if (g < 0 && L[j] > 0 && -g > gmax) {
+                gmax = -g; best_j = j; dir = -1;
+            }
+        }
+        if (best_j < 0 || (best_j == last_j && dir == -last_dir)) break;
+        double w = weights ? (double)weights[best_j] : (double)(x[best_j]*x[best_j]);
+        sum_l  += w*dir;
+        sum_l2 += w*(2*L[best_j]*dir + 1);
+        sum_xl += w*(double)x[best_j]*dir;
+        double D = (double)sum_w * sum_l2 - sum_l * sum_l;
+        if (D <= 0) break;
+        double this_scale = ((double)sum_w * sum_xl - (double)sum_x * sum_l)/D;
+        double this_min   = (sum_l2 * (double)sum_x - sum_l * sum_xl)/D;
+        if (this_min > 0) {
+            this_min = 0;
+            this_scale = sum_xl / sum_l2;
+        }
+        if (this_scale < 0) break;
+        double score = 2*this_scale*sum_xl + 2*this_min*(double)sum_x - 2*this_scale*this_min*sum_l
+                     - this_scale*this_scale*sum_l2 - this_min*this_min*(double)sum_w;
+        if (score <= best) break;
+        best = score;
+        scale = this_scale;
+        min = this_min;
+        L[best_j] += dir;
+        last_j = best_j; last_dir = dir;
+    }
     *the_min = -min;
     return scale;
 }
@@ -1044,7 +1159,7 @@ static void quantize_row_q2_K_impl(const float * GGML_RESTRICT x, block_q2_K * G
     GGML_ASSERT(quant_weights);
     assert(k % QK_K == 0);
     const int nb = k / QK_K;
-    const bool requantize = true;
+    // const bool requantize = true;
 
     uint8_t L[QK_K];
     uint8_t Laux[16];
@@ -1058,39 +1173,33 @@ static void quantize_row_q2_K_impl(const float * GGML_RESTRICT x, block_q2_K * G
         memset(sw, 0, QK_K/16*sizeof(float));
         float sumx2 = 0;
         for (int j = 0; j < QK_K; ++j) sumx2 += x[j]*x[j];
-        float sigma2 = sumx2/QK_K;
+        float sigma2 = 0.75f*sumx2/QK_K;
         for (int j = 0; j < QK_K/16; ++j) {
             const float * GGML_RESTRICT qw = quant_weights + QK_K * i + 16*j;
             for (int l = 0; l < 16; ++l) weight[l] = qw[l] * sqrtf(sigma2 + x[16*j + l]*x[16*j + l]);
             for (int l = 0; l < QK_K/16; ++l) sw[j] += weight[l];
             scales[j] = make_qkx3_quants(16, 3, x + 16*j, weight, L + 16*j, &mins[j], Laux, -0.9f, 0.05f, 36, false);
         }
 
-        float dm, mm;
-        dm  = make_qp_quants(QK_K/16, 15, scales, Ls, sw);
-        mm  = make_qp_quants(QK_K/16, 15, mins,   Lm, sw);
+        float dm  = make_qp_quants(QK_K/16, 15, scales, Ls, sw);
+        float mm  = make_qp_quants(QK_K/16, 15, mins,   Lm, sw);
 
         y[i].d    = GGML_FP32_TO_FP16(dm);
         y[i].dmin = GGML_FP32_TO_FP16(mm);
-        dm        = GGML_FP16_TO_FP32(y[i].d);
-        mm        = GGML_FP16_TO_FP32(y[i].dmin);
 
         for (int j = 0; j < QK_K/16; ++j) {
-            y[i].scales[j] = Ls[j] | (Lm[j] << 4);
-        }
-
-        if (requantize) {
-            for (int j = 0; j < QK_K/16; ++j) {
-                const float d = dm * (y[i].scales[j] & 0xF);
-                if (!d) continue;
-                const float m = mm * (y[i].scales[j] >> 4);
-                for (int ii = 0; ii < 16; ++ii) {
-                    int l = nearest_int((x[16*j + ii] + m)/d);
-                    l = MAX(0, MIN(3, l));
-                    L[16*j + ii] = l;
-                }
+            float d = dm*Ls[j];
+            float m = mm*Lm[j];
+            float id = d ? 1/d : 0.f;
+            for (int l = 0; l < QK_K/16; ++l) {
+                int q = nearest_int((x[16*j + l] + m)*id);
+                q = MAX(0, MIN(3, q));
+                L[16*j + l] = q;
             }
         }
+        for (int j = 0; j < QK_K/16; ++j) {
+            y[i].scales[j] = Ls[j] | (Lm[j] << 4);
+        }
 
         for (int j = 0; j < QK_K; j += 128) {
             for (int l = 0; l < 32; ++l) {
@@ -1979,8 +2088,12 @@ static void quantize_row_q4_0_impl(const float * GGML_RESTRICT x, block_q4_0 * G
     const int64_t nb = n_per_row/QK4_0;
     for (int ib = 0; ib < nb; ++ib) {
         const float * xb = x + QK4_0 * ib;
-        const float * qw = quant_weights + QK4_0 * ib;
-        for (int j = 0; j < QK4_0; ++j) weight[j] = qw[j] * sqrtf(sigma2 + xb[j]*xb[j]);
+        if (quant_weights) {
+            const float * qw = quant_weights + QK4_0 * ib;
+            for (int j = 0; j < QK4_0; ++j) weight[j] = qw[j] * sqrtf(sigma2 + xb[j]*xb[j]);
+        } else {
+            for (int j = 0; j < QK4_0; ++j) weight[j] = xb[j]*xb[j];
+        }
         float d = make_qx_quants(QK4_0, 8, xb, L, 1, weight);
         y[ib].d = GGML_FP32_TO_FP16(d);
         for (int j = 0; j < 16; ++j) {
@@ -4877,6 +4990,7 @@ static void quantize_row_iq4_nl_impl(const int super_block_size, const int block
         }
         d = sumqx/sumq2;
         float best = d*sumqx;
+        float best_sumqx = sumqx, best_sumq2 = sumq2;
         for (int itry = -ntry; itry <= ntry; ++itry) {
             id = (itry + values[0])/max;
             sumqx = sumq2 = 0;
@@ -4890,8 +5004,68 @@ static void quantize_row_iq4_nl_impl(const int super_block_size, const int block
             }
             if (sumq2 > 0 && sumqx*sumqx > best*sumq2) {
                 d = sumqx/sumq2; best = d * sumqx;
+                best_sumqx = sumqx; best_sumq2 = sumq2;
+                for (int j = 0; j < block_size; ++j) {
+                    float al = id*xb[j];
+                    Lb[j] = best_index_iq4nl(values, al);
+                }
+            }
+            id = (itry + values[15])/max;
+            sumqx = sumq2 = 0;
+            for (int j = 0; j < block_size; ++j) {
+                float al = id*xb[j];
+                int l = best_index_iq4nl(values, al);
+                float q = values[l];
+                float w = weight[j];
+                sumqx += w*q*xb[j];
+                sumq2 += w*q*q;
+            }
+            if (sumq2 > 0 && sumqx*sumqx > best*sumq2) {
+                d = sumqx/sumq2; best = d * sumqx;
+                best_sumqx = sumqx; best_sumq2 = sumq2;
+                for (int j = 0; j < block_size; ++j) {
+                    float al = id*xb[j];
+                    Lb[j] = best_index_iq4nl(values, al);
+                }
+            }
+        }
+        sumqx = best_sumqx; sumq2 = best_sumq2;
+        best_sumqx = sumqx; best_sumq2 = sumq2;
+        for (int iter = 0; iter < 32*block_size; ++iter) {
+            float min_step = INFINITY;
+            int best_j = -1; int dir = 0;
+            for (int j = 0; j < block_size; ++j) {
+                float w = weight[j];
+                float g = d * w * (xb[j] - d*values[Lb[j]]);
+                if (g > 0 && Lb[j] < 15) {
+                    float step = (values[Lb[j]+1] - values[Lb[j]])/g;
+                    if (step < min_step) {
+                        min_step = step; best_j = j; dir = 1;
+                    }
+                }
+                else if (g < 0 && Lb[j] > 0) {
+                    float step = (values[Lb[j]-1] - values[Lb[j]])/g;
+                    if (step < min_step) {
+                        min_step = step; best_j = j; dir = -1;
+                    }
+                }
+            }
+            if (best_j < 0) break;
+
+            float new_sumqx = sumqx, new_sumq2 = sumq2;
+            float w = weight[best_j];
+            new_sumqx += w*xb[best_j]*(values[Lb[best_j]+dir] - values[Lb[best_j]]);
+            new_sumq2 += w*(values[Lb[best_j]+dir]*values[Lb[best_j]+dir] - values[Lb[best_j]]*values[Lb[best_j]]);
+            if (new_sumq2 > 0 && new_sumqx*new_sumqx > best*new_sumq2) {
+                sumqx = new_sumqx; sumq2 = new_sumq2;
+                d = sumqx/sumq2; best = d*sumqx;
+                Lb[best_j] += dir;
+            }
+            else {
+                break;
             }
         }
+
         scales[ib] = d;
         float abs_d = fabsf(d);
         if (abs_d > amax_scale) {